SCHEMBL16610810

SCHEMBL16610810

COc1c(Nc2ncc(C)s2)nc(N2CCCC2c2ccc(C)cc2)nc1-c1cnco1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 6/20 0.33
ACVR1 Q04771 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16754752 0.90 KDR (0.35) IMPDH2ACVR1
SCHEMBL16610653 0.78 KDR (0.36) ACVR1
SCHEMBL16772679 0.77 KDR (0.34) IMPDH2
SCHEMBL16754754 0.77 KDR (0.35) ACVR1
SCHEMBL16754746 0.77 KDR (0.35) ACVR1
SCHEMBL16610687 0.76 ACVR1 (0.34) ACVR1
SCHEMBL16610595 0.76 ACVR1 (0.34) ACVR1
SCHEMBL16754745 0.75 KDR (0.33) ACVR1
SCHEMBL16610512 0.74 KDR (0.38) ACVR1
SCHEMBL16610747 0.74 KDR (0.38) ACVR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857398-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL Nippon Shinyaku Co., Ltd. (JP) 2015-04-08 EP claimed
EP-2857398-A1 AROMATIC HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL Nippon Shinyaku Co., Ltd. (JP) 2015-04-08 EP disclosed